ethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate

C13H18FNO2 — CID 164806138

IUPACethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate
SMILESCCOC(=O)/C(F)=C1\CCC=C1N1CCCC1
InChIInChI=1S/C13H18FNO2/c1-2-17-13(16)12(14)10-6-5-7-11(10)15-8-3-4-9-15/h7H,2-6,8-9H2,1H3/b12-10-
InChIKeyUANXDKOWBPIEKM-BENRWUELSA-N
MW239.29 g/mol
LogP2.55
Rot. Bonds3

About ethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate

ethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate (PubChem CID 164806138) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is ethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate
PubChem CID164806138
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Nameethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate
SMILESCCOC(=O)/C(F)=C1\CCC=C1N1CCCC1
InChIInChI=1S/C13H18FNO2/c1-2-17-13(16)12(14)10-6-5-7-11(10)15-8-3-4-9-15/h7H,2-6,8-9H2,1H3/b12-10-
InChIKeyUANXDKOWBPIEKM-BENRWUELSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate (CID 164806138) is ethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate is CCOC(=O)/C(F)=C1\CCC=C1N1CCCC1.
What is the InChIKey of ethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate?
The InChIKey is UANXDKOWBPIEKM-BENRWUELSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-2-17-13(16)12(14)10-6-5-7-11(10)15-8-3-4-9-15/h7H,2-6,8-9H2,1H3/b12-10-.
What are the key properties of ethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate?
ethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate has a molecular weight of 239.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-fluoro-2-(2-pyrrolidin-1-ylcyclopent-2-en-1-ylidene)acetate is sourced from PubChem (CID 164806138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).